N-(4-nitroanilino)-N'-phenylbenzenecarboximidamide
Formula:C19H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-(4-nitroanilino)-N'-phenylbenzenecarboximidamide is a drug-like molecule.
| MolName | N-(4-nitroanilino)-N'-phenylbenzenecarboximidamide |
| MolecularFormula | C19H16N4O2 |
| Smiles | [O-][N+](c(cc1)ccc1NN/C(/c1ccccc1)=N/c1ccccc1)=O |
| InChI | InChI=1S/C19H16N4O2/c24-23(25)18-13-11-17(12-14-18)21-22-19(15-7-3-1-4-8-15)20-16-9-5-2-6-10-16/h1-14,21H,(H,20,22) |
| InChIK | QHAAVGKKUXZLOH-UHFFFAOYSA-N |
| TotalMolweight | 332.362 |
| Molweight | 332.362 |
| MonoisotopicMass | 332.127326 |
| CLogP | 3.9367 |
| CLogS | -4.416 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 262.34 |
| Relative PSA | 0.2472 |
| PolarSurfaceArea | 82.24 |
| Druglikeness | -4.616 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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